Geometry & MOs

Info

ID:	262448
PubChem CID:	103293356
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	296.165541
ΔH_f, kcal/mol:	-40.77
Dipole, Da:	4.86
IP(EA), eV:	-8.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-methoxyphenyl)methyl]-3-(2-methylpropyl)piperazine

Drug info:

PubChemData

Smile

CNC1=C(C=CC=N1)C(=O)NCC2=C(C=CC=C2Cl)OC

DOS

IR

Vibrations